SCHEMBL2586304

SCHEMBL2586304

[c]1ccc(-c2cccc3c2ccc2c4ccccc4ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.54
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
PAX8 Q06710 1/20 0.41
TNF P01375 1/20 0.41
CYP1A2 P05177 3/20 0.40
HIF1A Q16665 2/20 0.40
HPGD P15428 2/20 0.40
CYP1B1 Q16678 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1270804 1.00 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Water SCHEMBL27550628 0.90 CA12 (0.49) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL161269 0.90 CA12 (0.49) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL27297558 0.88 CA12 (0.47) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL27576521 0.88 CA12 (0.47) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL28787358 0.86 CA12 (0.46) ALDH1A1HSD17B10TDP1TSHRCA12
SCHEMBL668823 0.86 CA12 (0.54) CA12CA1CA2CA9TNF
SCHEMBL27620091 0.86 HPRT1 (0.67) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL2835699 0.86 HPRT1 (0.67) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL443518 0.84 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9269911-B2 Organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
EP-2564441-A1 ORGANIC LIGHT-EMITTING DEVICE Canon Kabushiki Kaisha (JP) 2013-03-06 EP disclosed
US-20130037791-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-02-14 US disclosed
WO-2011136156-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-11-03 WO disclosed